| CAS Number | 70336-83-3 |
| Catalog Number | AG00FGPU |
| Chemical Name | Ethyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
| IUPAC Name | ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate |
| InChI | InChI=1S/C15H20N2O2/c1-2-19-15(18)13-11-17(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3 |
| InChI Key | ULARACKZXVBXJF-UHFFFAOYSA-N |
| MDL Number | MFCD11867863 |
| Molecular Formula | C15H20N2O2 |
| Molecular Weight | 260.3315 |
| SMILES | CCOC(=O)C1=C(N)CCN(CC2=CC=CC=C2)C1 |
| Synonyms | ETHYL 4-AMINO-1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE,
70336-83-3,
4-Amino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid ethyl ester,
SCHEMBL15420762,
ULARACKZXVBXJF-UHFFFAOYSA-N,
AR2630,
MFCD11867863,
ZINC35287647,
AS-45403,
AB0086767,
FT-0734253,
Z-8678,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.337g/mol |
| Monoisotopic Mass | 260.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number